Ligand · 5R1

5R1 · 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid

5R1, 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid (C21 H21 N3 O6, 411.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component: 5R1
Formula: C21 H21 N3 O6
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

5R1 in 2 structures; the first of them:

2XK8 · Structure of Nek2 bound to aminopyrazine compound 15 · 5R1 A1280 · binds ILE14, CYS22, VAL35, LYS37, VAL68, TYR70, MET86, GLU87 and 10 more
2XK8 · Structure of NEK2 bound to aminopyrazine compound 15 · 5R1 A1280 · binds ILE14, CYS22, VAL35, LYS37, VAL68, TYR70, MET86, GLU87 and 10 more

Residues it binds most

ASP 2, CYS 2, GLU 2, GLY 2, PHE 2, TYR 2, VAL 2, ILE 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

CL · Chloride ion

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